N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine

C18H21N7 — CID 69235237

IUPACN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine
SMILESCN1CCN(c2ccc(Nc3cccc(-n4cccn4)n3)nc2)CC1
InChIInChI=1S/C18H21N7/c1-23-10-12-24(13-11-23)15-6-7-16(19-14-15)21-17-4-2-5-18(22-17)25-9-3-8-20-25/h2-9,14H,10-13H2,1H3,(H,19,21,22)
InChIKeyYZJLXJNCGUBRSI-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.16
Rot. Bonds4

About N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine

N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine (PubChem CID 69235237) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine
PubChem CID69235237
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine
SMILESCN1CCN(c2ccc(Nc3cccc(-n4cccn4)n3)nc2)CC1
InChIInChI=1S/C18H21N7/c1-23-10-12-24(13-11-23)15-6-7-16(19-14-15)21-17-4-2-5-18(22-17)25-9-3-8-20-25/h2-9,14H,10-13H2,1H3,(H,19,21,22)
InChIKeyYZJLXJNCGUBRSI-UHFFFAOYSA-N
XLogP2.16
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine?
The IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine (CID 69235237) is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine.
What is the SMILES notation for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine?
The canonical SMILES for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine is CN1CCN(c2ccc(Nc3cccc(-n4cccn4)n3)nc2)CC1.
What is the InChIKey of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine?
The InChIKey is YZJLXJNCGUBRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-23-10-12-24(13-11-23)15-6-7-16(19-14-15)21-17-4-2-5-18(22-17)25-9-3-8-20-25/h2-9,14H,10-13H2,1H3,(H,19,21,22).
What are the key properties of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine?
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine has a molecular weight of 335.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine is sourced from PubChem (CID 69235237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).